N-(1-aminopropan-2-yl)-N-methyl-1H-pyrazole-5-sulfonamide

C7H14N4O2S — CID 102690466

IUPACN-(1-aminopropan-2-yl)-N-methyl-1H-pyrazole-5-sulfonamide
SMILESCC(CN)N(C)S(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C7H14N4O2S/c1-6(5-8)11(2)14(12,13)7-3-4-9-10-7/h3-4,6H,5,8H2,1-2H3,(H,9,10)
InChIKeyPJWLQMOKUDVZQC-UHFFFAOYSA-N
MW218.28 g/mol
LogP-0.62
Rot. Bonds4

About N-(1-aminopropan-2-yl)-N-methyl-1H-pyrazole-5-sulfonamide

N-(1-aminopropan-2-yl)-N-methyl-1H-pyrazole-5-sulfonamide (PubChem CID 102690466) has the molecular formula C7H14N4O2S and a molecular weight of 218.28 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-N-methyl-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-N-methyl-1H-pyrazole-5-sulfonamide
PubChem CID102690466
Molecular FormulaC7H14N4O2S
Molecular Weight218.28 g/mol
Exact Mass218.08
IUPAC NameN-(1-aminopropan-2-yl)-N-methyl-1H-pyrazole-5-sulfonamide
SMILESCC(CN)N(C)S(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C7H14N4O2S/c1-6(5-8)11(2)14(12,13)7-3-4-9-10-7/h3-4,6H,5,8H2,1-2H3,(H,9,10)
InChIKeyPJWLQMOKUDVZQC-UHFFFAOYSA-N
XLogP-0.62
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-(4-methylsulfanylbutan-2-yl)-1H-pyrazole-5-sulfonamide
CID 102693435
N'-hydroxy-3-[methyl(1H-pyrazol-5-ylsulfonyl)amino]butanimidamide
CID 102693863
N-[1-(2-methoxyphenyl)propan-2-yl]-N-methyl-1H-pyrazole-5-sulfonamide
CID 102693125
N-(2-aminoethyl)-N-pentan-3-yl-1H-pyrazole-5-sulfonamide
CID 102694110
2-[propan-2-yl(1H-pyrazol-5-ylsulfonyl)amino]acetamide
CID 102691712
N-(2-aminoethyl)-N-propyl-1H-pyrazole-5-sulfonamide
CID 102690421
N-[2-(aminomethyl)phenyl]-N-methyl-1H-pyrazole-5-sulfonamide
CID 102690477
N-[1-(2-chlorophenyl)ethyl]-N-methyl-1H-pyrazole-5-sulfonamide
CID 102692112
N-methyl-N-(2-methylbutan-2-yl)-1H-pyrazole-5-sulfonamide
CID 102693049
N-(2-chloroethyl)-N-propan-2-yl-1H-pyrazole-5-sulfonamide
CID 102693924
N-(cyanomethyl)-N-propan-2-yl-1H-pyrazole-5-sulfonamide
CID 102691142
N-(4-amino-3-methylbutan-2-yl)-1H-pyrazole-5-sulfonamide
CID 102694134

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-N-methyl-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-(1-aminopropan-2-yl)-N-methyl-1H-pyrazole-5-sulfonamide (CID 102690466) is N-(1-aminopropan-2-yl)-N-methyl-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-(1-aminopropan-2-yl)-N-methyl-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-(1-aminopropan-2-yl)-N-methyl-1H-pyrazole-5-sulfonamide is CC(CN)N(C)S(=O)(=O)c1ccn[nH]1.
What is the InChIKey of N-(1-aminopropan-2-yl)-N-methyl-1H-pyrazole-5-sulfonamide?
The InChIKey is PJWLQMOKUDVZQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4O2S/c1-6(5-8)11(2)14(12,13)7-3-4-9-10-7/h3-4,6H,5,8H2,1-2H3,(H,9,10).
What are the key properties of N-(1-aminopropan-2-yl)-N-methyl-1H-pyrazole-5-sulfonamide?
N-(1-aminopropan-2-yl)-N-methyl-1H-pyrazole-5-sulfonamide has a molecular weight of 218.28 g/mol, XLogP of -0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-N-methyl-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 102690466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).